HRID2125112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

结构：O=C(O)C1=NN(c2cccc(Cl)c2)C(c2ccccc2)CC1

HCID23358753

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(C(F)(F)F)cc1)C1=NN(c2cccc(Cl)c2)C(c2ccccc2)CC1

HCID23358755

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c5db6eb03c641eda059daf75ffaa619
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[cH:3][c:4]([N:8]2[N:9]=[C:10]([C:20](=[O:21])[OH:22])[CH2:11][CH2:12][CH:13]2[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([N:31]=[C:32]=[O:33])[cH:29][cH:30]1)([F:34])[F:35]>>[Cl:1][c:2]1[cH:3][c:4]([N:8]2[N:9]=[C:10]([C:20](=[O:21])[NH:31][c:28]3[cH:27][cH:26][c:25]([C:24]([F:23])([F:34])[F:35])[cH:30][cH:29]3)[CH2:11][CH2:12][CH:13]2[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][cH:6][cH:7]1